一种新型苯并苯胺生物碱的鉴定抑制MDA-MB-231细胞的生长和迁移。

IF 2.3 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Yuxiang Wan, Yuxin Qi, Xueshuang Huang, Yang Xie, Peng Yang
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引用次数: 0

摘要

在寻找有效的乳腺癌抗转移疗法中,天然产物仍然是先导化合物的关键储存库。在本研究中,我们评估了三种苯并苯胺生物碱对人乳腺癌细胞的抑制作用。从毛刺花中分离鉴定出一种新的苯并苯胺生物碱(6S)-6-β-d-葡萄糖吡喃基血碱(SGG, 1),能降低MDA-MB-231细胞的细胞活力,IC50值为32.688µM,但对正常肝细胞的毒性有限。伤口愈合实验显示,SGG显著抑制MDA-MB-231细胞的迁移能力。此外,分子对接研究表明,SGG与FN1、COL3A1、DCN、MUC1之间存在显著的相互作用,结合能分别为-8.98、-7.79、-7.49和-7.77 kcal/mol。根据ADMET和药物相似性评估,SGG被确定为有前景的候选先导化合物。总的来说,这些发现确定了SGG是一种潜在的乳腺癌转移小分子抑制剂。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Identification of a New Benzophenanthridine Alkaloid Suppressed the Growth and Migration of MDA-MB-231 Cells.

Natural products remain a critical reservoir of lead compounds in the search for effective antimetastatic therapies for breast cancer. In the present study, we evaluated the inhibitory effects of three benzophenanthridine alkaloids against human breast cancer cells. One new benzophenanthridine alkaloid, (6S)-6-β-d-glucopyranosylsanguinarine (SGG, 1), was isolated and identified from Eomecon chionantha, and decreased the cell viability of MDA-MB-231 cells with an IC50 value of 32.688 µM, while showing limited toxicity in normal liver cells. SGG significantly inhibits the migration ability in MDA-MB-231 cells using wound healing assay. Furthermore, molecular docking studies revealed significant interactions between SGG and FN1, COL3A1, DCN, MUC1 with a binding energy of -8.98, -7.79, -7.49, and -7.77 kcal/mol, respectively. According to ADMET and drug-likeness assessment, SGG was identified as a promising candidate lead compound. Collectively, these findings identify SGG as a potential small-molecule inhibitor of breast cancer metastasis.

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来源期刊
Chemistry & Biodiversity
Chemistry & Biodiversity 环境科学-化学综合
CiteScore
3.40
自引率
10.30%
发文量
475
审稿时长
2.6 months
期刊介绍: Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.
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